SCHEMBL15329949

SCHEMBL15329949

C=CCNC(=O)COc1c(Cl)cc(C=O)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.55
MAPT P10636 5/20 0.55
KDM4E B2RXH2 2/20 0.55
THRB P10828 2/20 0.55
L3MBTL1 Q9Y468 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.48
POLB P06746 4/20 0.48
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2559587 0.87 ALDH1A1 (0.64) ALDH1A1MAPTKDM4ETHRBL3MBTL1
SCHEMBL2560562 0.85 ALDH1A1 (0.55) ALDH1A1MAPTKDM4ETHRBL3MBTL1
SCHEMBL2553581 0.84 ALDH1A1 (0.62) ALDH1A1MAPTKDM4ETHRBL3MBTL1
SCHEMBL2563609 0.84 ALDH1A1 (0.51) ALDH1A1MAPTKDM4ETHRBL3MBTL1
SCHEMBL2558921 0.84 ALDH1A1 (0.51) ALDH1A1MAPTKDM4ETHRBL3MBTL1
SCHEMBL2560442 0.82 ALDH1A1 (0.60) ALDH1A1MAPTKDM4ETHRBL3MBTL1
SCHEMBL15333341 0.81 ALDH1A1 (0.56) ALDH1A1MAPTKDM4EL3MBTL1SMN1; SMN2
SCHEMBL29955369 0.80 ALDH1A1 (0.60) ALDH1A1MAPTKDM4EL3MBTL1RAB9A
SCHEMBL2555144 0.80 ALDH1A1 (0.67) ALDH1A1MAPTKDM4ESMN1; SMN2RAB9A
SCHEMBL2558682 0.80 ALDH1A1 (0.75) ALDH1A1MAPTKDM4ESMN1; SMN2RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed